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L-Valine, N-(3,4-difluorobenzoyl)-, octyl ester

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L-Valine, N-(3,4-difluorobenzoyl)-, octyl ester
SpectraBase Compound ID 3AaJPQKW0j
InChI InChI=1S/C20H29F2NO3/c1-4-5-6-7-8-9-12-26-20(25)18(14(2)3)23-19(24)15-10-11-16(21)17(22)13-15/h10-11,13-14,18H,4-9,12H2,1-3H3,(H,23,24)
InChIKey BSAMHKZPUQVSLI-UHFFFAOYSA-N
Mol Weight 369.45 g/mol
Molecular Formula C20H29F2NO3
Exact Mass 369.21155 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CwYkizyJiK9
Name L-Valine, N-(3,4-difluorobenzoyl)-, octyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 369.211550121 u
Formula C20H29F2NO3
InChI InChI=1S/C20H29F2NO3/c1-4-5-6-7-8-9-12-26-20(25)18(14(2)3)23-19(24)15-10-11-16(21)17(22)13-15/h10-11,13-14,18H,4-9,12H2,1-3H3,(H,23,24)
InChIKey BSAMHKZPUQVSLI-UHFFFAOYSA-N
Molecular Weight 369.453 g/mol
SMILES C1(=C(C=C(C=C1)C(NC(C(C)C)C(=O)OCCCCCCCC)=O)F)F